4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

C71H104Cl2N16O4Si3 — CID 158021898

About 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (PubChem CID 158021898) has the molecular formula C71H104Cl2N16O4Si3 and a molecular weight of 1400.88 g/mol. Its IUPAC name is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
• PubChem CID: 158021898
• Molecular Formula: C71H104Cl2N16O4Si3
• Molecular Weight: 1400.88 g/mol
• Exact Mass: 1398.71
• IUPAC Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
• SMILES: CCCC(C)C1C=CC(C2CC(C)(C)C(C)(C)C2)=C1.CCOC(C)n1cc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.Clc1ncnc2[nH]ccc12
• InChI: InChI=1S/C19H29N5O2Si.C19H32.C15H21N5OSi.C12H18ClN3OSi.C6H4ClN3/c1-6-26-15(2)24-12-16(11-22-24)18-17-7-8-23(19(17)21-13-20-18)14-25-9-10-27(3,4)5;1-7-8-14(2)15-9-10-16(11-15)17-12-18(3,4)19(5,6)13-17;1-22(2,3)7-6-21-11-20-5-4-13-14(12-8-18-19-9-12)16-10-17-15(13)20;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;7-5-4-1-2-8-6(4)10-3-9-5/h7-8,11-13,15H,6,9-10,14H2,1-5H3;9-11,14-15,17H,7-8,12-13H2,1-6H3;4-5,8-10H,6-7,11H2,1-3H3,(H,18,19);4-5,8H,6-7,9H2,1-3H3;1-3H,(H,8,9,10)
• InChIKey: FGDSJKULPKIAAJ-UHFFFAOYSA-N
• XLogP: 18.30
• TPSA: 217.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1400.88
LogP ≤ 5	18.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (CID 158021898) is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

What is the SMILES notation for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The canonical SMILES for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is CCCC(C)C1C=CC(C2CC(C)(C)C(C)(C)C2)=C1.CCOC(C)n1cc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.Clc1ncnc2[nH]ccc12.

What is the InChIKey of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The InChIKey is FGDSJKULPKIAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2Si.C19H32.C15H21N5OSi.C12H18ClN3OSi.C6H4ClN3/c1-6-26-15(2)24-12-16(11-22-24)18-17-7-8-23(19(17)21-13-20-18)14-25-9-10-27(3,4)5;1-7-8-14(2)15-9-10-16(11-15)17-12-18(3,4)19(5,6)13-17;1-22(2,3)7-6-21-11-20-5-4-13-14(12-8-18-19-9-12)16-10-17-15(13)20;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;7-5-4-1-2-8-6(4)10-3-9-5/h7-8,11-13,15H,6,9-10,14H2,1-5H3;9-11,14-15,17H,7-8,12-13H2,1-6H3;4-5,8-10H,6-7,11H2,1-3H3,(H,18,19);4-5,8H,6-7,9H2,1-3H3;1-3H,(H,8,9,10).

What are the key properties of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane has a molecular weight of 1400.88 g/mol, XLogP of 18.30, 24 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;5-pentan-2-yl-2-(3,3,4,4-tetramethylcyclopentyl)cyclopenta-1,3-diene;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is sourced from PubChem (CID 158021898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).